USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 ASN : amide:sc= 1.21 K(o=-0.043,f=-6.2!) USER MOD Set 1.2: A 66 GLN : amide:sc= -1.25! C(o=-0.043!,f=-6.3!) USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0929) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0214 X(o=-0.021,f=-0.016) USER MOD Single : A 14 GLN : amide:sc= -5.35! C(o=-5.3!,f=-15!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot -106:sc= 0.0163 USER MOD Single : A 25 ASN : amide:sc= -0.227 K(o=-0.23,f=-1.6!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -122:sc= 1 USER MOD Single : A 64 THR OG1 : rot -160:sc= -4.33! USER MOD Single : A 71 TYR OH : rot -39:sc= -1.55! USER MOD Single : A 73 ASN : amide:sc= -0.747 X(o=-0.75,f=-0.38) USER MOD Single : A 75 HIS : no HE2:sc= -4.58! C(o=-4.6!,f=-7.1!) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.901 F(o=-1.6!,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -3.182 -8.637 -10.313 1.00 0.00 N ATOM 27 CA ILE A 3 -2.250 -7.961 -9.427 1.00 0.00 C ATOM 28 C ILE A 3 -2.705 -6.515 -9.222 1.00 0.00 C ATOM 29 O ILE A 3 -3.183 -6.157 -8.147 1.00 0.00 O ATOM 30 CB ILE A 3 -0.820 -8.087 -9.956 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.093 -9.262 -9.298 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.056 -6.773 -9.788 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.787 -8.783 -8.141 1.00 0.00 C ATOM 0 HA ILE A 3 -2.245 -8.436 -8.446 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.868 -8.297 -11.025 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.821 -9.985 -8.931 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.521 -9.775 -10.038 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.957 -6.890 -10.172 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.565 -5.983 -10.341 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.016 -6.508 -8.731 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.292 -9.637 -7.691 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.529 -8.078 -8.516 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.167 -8.292 -7.391 1.00 0.00 H new ATOM 45 N GLU A 4 -2.540 -5.722 -10.271 1.00 0.00 N ATOM 46 CA GLU A 4 -2.928 -4.323 -10.220 1.00 0.00 C ATOM 47 C GLU A 4 -4.366 -4.189 -9.718 1.00 0.00 C ATOM 48 O GLU A 4 -4.674 -3.287 -8.940 1.00 0.00 O ATOM 49 CB GLU A 4 -2.760 -3.657 -11.588 1.00 0.00 C ATOM 50 CG GLU A 4 -3.580 -2.369 -11.675 1.00 0.00 C ATOM 51 CD GLU A 4 -4.853 -2.584 -12.496 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.946 -2.102 -13.634 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.768 -3.281 -11.911 1.00 0.00 O ATOM 0 H GLU A 4 -2.143 -6.022 -11.161 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.270 -3.809 -9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.707 -3.434 -11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.073 -4.346 -12.373 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.842 -2.032 -10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.979 -1.581 -12.129 1.00 0.00 H new ATOM 61 N GLU A 5 -5.210 -5.098 -10.184 1.00 0.00 N ATOM 62 CA GLU A 5 -6.609 -5.093 -9.792 1.00 0.00 C ATOM 63 C GLU A 5 -6.733 -5.025 -8.269 1.00 0.00 C ATOM 64 O GLU A 5 -7.541 -4.262 -7.742 1.00 0.00 O ATOM 65 CB GLU A 5 -7.339 -6.317 -10.347 1.00 0.00 C ATOM 66 CG GLU A 5 -8.656 -6.553 -9.606 1.00 0.00 C ATOM 67 CD GLU A 5 -9.737 -7.067 -10.559 1.00 0.00 C ATOM 68 OE1 GLU A 5 -9.429 -7.807 -11.505 1.00 0.00 O ATOM 69 OE2 GLU A 5 -10.935 -6.671 -10.288 1.00 0.00 O ATOM 0 H GLU A 5 -4.951 -5.844 -10.830 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.081 -4.207 -10.216 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.536 -6.176 -11.410 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.703 -7.197 -10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.501 -7.274 -8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.987 -5.624 -9.141 1.00 0.00 H new ATOM 77 N ARG A 6 -5.919 -5.832 -7.604 1.00 0.00 N ATOM 78 CA ARG A 6 -5.927 -5.872 -6.151 1.00 0.00 C ATOM 79 C ARG A 6 -5.222 -4.640 -5.582 1.00 0.00 C ATOM 80 O ARG A 6 -5.625 -4.114 -4.545 1.00 0.00 O ATOM 81 CB ARG A 6 -5.234 -7.134 -5.632 1.00 0.00 C ATOM 82 CG ARG A 6 -6.197 -8.323 -5.619 1.00 0.00 C ATOM 83 CD ARG A 6 -5.976 -9.193 -4.379 1.00 0.00 C ATOM 84 NE ARG A 6 -7.248 -9.835 -3.979 1.00 0.00 N ATOM 85 CZ ARG A 6 -7.456 -10.420 -2.780 1.00 0.00 C ATOM 86 NH1 ARG A 6 -6.476 -10.449 -1.853 1.00 0.00 N ATOM 87 NH2 ARG A 6 -8.632 -10.963 -2.529 1.00 0.00 N ATOM 0 H ARG A 6 -5.250 -6.463 -8.044 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.967 -5.882 -5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.374 -7.365 -6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.855 -6.957 -4.625 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.226 -7.963 -5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.054 -8.922 -6.518 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.225 -9.954 -4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.593 -8.584 -3.560 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.015 -9.836 -4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.570 -10.027 -2.056 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.641 -10.893 -0.950 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.367 -10.937 -3.236 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.806 -11.409 -1.628 1.00 0.00 H new ATOM 100 N VAL A 7 -4.183 -4.214 -6.285 1.00 0.00 N ATOM 101 CA VAL A 7 -3.419 -3.053 -5.862 1.00 0.00 C ATOM 102 C VAL A 7 -4.348 -1.841 -5.770 1.00 0.00 C ATOM 103 O VAL A 7 -4.522 -1.268 -4.696 1.00 0.00 O ATOM 104 CB VAL A 7 -2.238 -2.830 -6.810 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.395 -1.634 -6.363 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.382 -4.093 -6.925 1.00 0.00 C ATOM 0 H VAL A 7 -3.852 -4.652 -7.145 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.997 -3.215 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.639 -2.606 -7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.563 -1.497 -7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.012 -0.736 -6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.009 -1.816 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.550 -3.908 -7.604 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.995 -4.361 -5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.990 -4.911 -7.311 1.00 0.00 H new ATOM 116 N LYS A 8 -4.922 -1.488 -6.911 1.00 0.00 N ATOM 117 CA LYS A 8 -5.830 -0.355 -6.972 1.00 0.00 C ATOM 118 C LYS A 8 -6.839 -0.453 -5.826 1.00 0.00 C ATOM 119 O LYS A 8 -7.209 0.559 -5.232 1.00 0.00 O ATOM 120 CB LYS A 8 -6.477 -0.262 -8.355 1.00 0.00 C ATOM 121 CG LYS A 8 -5.809 0.825 -9.201 1.00 0.00 C ATOM 122 CD LYS A 8 -5.220 0.236 -10.485 1.00 0.00 C ATOM 123 CE LYS A 8 -5.793 0.933 -11.720 1.00 0.00 C ATOM 124 NZ LYS A 8 -7.098 0.342 -12.091 1.00 0.00 N ATOM 0 H LYS A 8 -4.776 -1.966 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.284 0.579 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.398 -1.223 -8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.540 -0.044 -8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.538 1.596 -9.451 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.021 1.308 -8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.135 0.342 -10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.436 -0.831 -10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.913 1.998 -11.521 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.096 0.841 -12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.666 1.048 -12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.943 -0.486 -12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.603 0.048 -11.231 1.00 0.00 H new ATOM 137 N LYS A 9 -7.256 -1.680 -5.551 1.00 0.00 N ATOM 138 CA LYS A 9 -8.215 -1.923 -4.487 1.00 0.00 C ATOM 139 C LYS A 9 -7.614 -1.477 -3.152 1.00 0.00 C ATOM 140 O LYS A 9 -8.115 -0.548 -2.521 1.00 0.00 O ATOM 141 CB LYS A 9 -8.671 -3.383 -4.499 1.00 0.00 C ATOM 142 CG LYS A 9 -10.188 -3.486 -4.333 1.00 0.00 C ATOM 143 CD LYS A 9 -10.897 -3.367 -5.684 1.00 0.00 C ATOM 144 CE LYS A 9 -12.381 -3.716 -5.556 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.660 -5.031 -6.177 1.00 0.00 N ATOM 0 H LYS A 9 -6.947 -2.516 -6.046 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.116 -1.331 -4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.372 -3.853 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.176 -3.929 -3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.443 -4.438 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.538 -2.700 -3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.790 -2.352 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.424 -4.032 -6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.667 -3.736 -4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.985 -2.945 -6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.672 -5.252 -6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.406 -5.000 -7.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.098 -5.766 -5.701 1.00 0.00 H new ATOM 158 N ILE A 10 -6.549 -2.161 -2.762 1.00 0.00 N ATOM 159 CA ILE A 10 -5.874 -1.848 -1.514 1.00 0.00 C ATOM 160 C ILE A 10 -5.652 -0.336 -1.425 1.00 0.00 C ATOM 161 O ILE A 10 -5.960 0.281 -0.407 1.00 0.00 O ATOM 162 CB ILE A 10 -4.589 -2.667 -1.379 1.00 0.00 C ATOM 163 CG1 ILE A 10 -4.887 -4.167 -1.419 1.00 0.00 C ATOM 164 CG2 ILE A 10 -3.814 -2.269 -0.121 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.095 -4.722 -0.008 1.00 0.00 C ATOM 0 H ILE A 10 -6.137 -2.931 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.495 -2.131 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.951 -2.443 -2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.778 -4.349 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.064 -4.692 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.905 -2.866 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.551 -1.213 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.433 -2.444 0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.305 -5.790 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.194 -4.560 0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.935 -4.211 0.464 1.00 0.00 H new ATOM 177 N ILE A 11 -5.120 0.216 -2.505 1.00 0.00 N ATOM 178 CA ILE A 11 -4.853 1.643 -2.562 1.00 0.00 C ATOM 179 C ILE A 11 -6.148 2.411 -2.289 1.00 0.00 C ATOM 180 O ILE A 11 -6.149 3.389 -1.543 1.00 0.00 O ATOM 181 CB ILE A 11 -4.188 2.012 -3.889 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.684 1.737 -3.844 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.494 3.461 -4.272 1.00 0.00 C ATOM 184 CD1 ILE A 11 -2.310 0.579 -4.771 1.00 0.00 C ATOM 0 H ILE A 11 -4.866 -0.299 -3.348 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.142 1.928 -1.786 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.608 1.377 -4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.138 2.633 -4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.384 1.501 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.009 3.697 -5.219 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.571 3.591 -4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.120 4.129 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.235 0.405 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.839 -0.322 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.589 0.828 -5.795 1.00 0.00 H new ATOM 196 N GLY A 12 -7.220 1.938 -2.908 1.00 0.00 N ATOM 197 CA GLY A 12 -8.519 2.568 -2.741 1.00 0.00 C ATOM 198 C GLY A 12 -8.877 2.703 -1.260 1.00 0.00 C ATOM 199 O GLY A 12 -9.576 3.636 -0.869 1.00 0.00 O ATOM 0 H GLY A 12 -7.216 1.126 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.512 3.553 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.281 1.979 -3.251 1.00 0.00 H new ATOM 203 N GLN A 13 -8.381 1.757 -0.475 1.00 0.00 N ATOM 204 CA GLN A 13 -8.639 1.759 0.955 1.00 0.00 C ATOM 205 C GLN A 13 -7.651 2.681 1.672 1.00 0.00 C ATOM 206 O GLN A 13 -8.051 3.516 2.481 1.00 0.00 O ATOM 207 CB GLN A 13 -8.578 0.340 1.524 1.00 0.00 C ATOM 208 CG GLN A 13 -9.689 0.114 2.552 1.00 0.00 C ATOM 209 CD GLN A 13 -9.111 -0.342 3.893 1.00 0.00 C ATOM 210 OE1 GLN A 13 -8.408 -1.335 3.990 1.00 0.00 O ATOM 211 NE2 GLN A 13 -9.445 0.436 4.918 1.00 0.00 N ATOM 0 H GLN A 13 -7.802 0.984 -0.803 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.647 2.140 1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.673 -0.385 0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.607 0.172 1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.254 1.036 2.690 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.387 -0.635 2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.037 1.253 4.767 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.109 0.216 5.856 1.00 0.00 H new ATOM 220 N GLN A 14 -6.379 2.498 1.348 1.00 0.00 N ATOM 221 CA GLN A 14 -5.330 3.304 1.951 1.00 0.00 C ATOM 222 C GLN A 14 -5.782 4.761 2.069 1.00 0.00 C ATOM 223 O GLN A 14 -5.343 5.479 2.966 1.00 0.00 O ATOM 224 CB GLN A 14 -4.029 3.195 1.154 1.00 0.00 C ATOM 225 CG GLN A 14 -3.601 1.734 1.000 1.00 0.00 C ATOM 226 CD GLN A 14 -2.084 1.622 0.837 1.00 0.00 C ATOM 227 OE1 GLN A 14 -1.310 2.254 1.537 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.703 0.784 -0.124 1.00 0.00 N ATOM 0 H GLN A 14 -6.051 1.804 0.676 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.136 2.923 2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.163 3.644 0.170 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.242 3.757 1.657 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.920 1.164 1.873 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.097 1.295 0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.403 0.286 -0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.711 0.640 -0.311 1.00 0.00 H new ATOM 237 N LEU A 15 -6.652 5.154 1.150 1.00 0.00 N ATOM 238 CA LEU A 15 -7.167 6.512 1.140 1.00 0.00 C ATOM 239 C LEU A 15 -8.696 6.473 1.164 1.00 0.00 C ATOM 240 O LEU A 15 -9.304 6.487 2.233 1.00 0.00 O ATOM 241 CB LEU A 15 -6.590 7.295 -0.042 1.00 0.00 C ATOM 242 CG LEU A 15 -6.182 6.465 -1.261 1.00 0.00 C ATOM 243 CD1 LEU A 15 -6.505 7.205 -2.561 1.00 0.00 C ATOM 244 CD2 LEU A 15 -4.709 6.062 -1.182 1.00 0.00 C ATOM 0 H LEU A 15 -7.013 4.555 0.407 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.847 7.047 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.328 8.032 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.717 7.848 0.305 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.768 5.546 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.205 6.593 -3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.576 7.399 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.964 8.151 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.445 5.473 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.088 6.957 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.542 5.468 -0.283 1.00 0.00 H new ATOM 256 N GLY A 16 -9.274 6.426 -0.028 1.00 0.00 N ATOM 257 CA GLY A 16 -10.720 6.385 -0.157 1.00 0.00 C ATOM 258 C GLY A 16 -11.164 6.906 -1.525 1.00 0.00 C ATOM 259 O GLY A 16 -12.125 7.668 -1.622 1.00 0.00 O ATOM 0 H GLY A 16 -8.766 6.415 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.072 5.362 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.176 6.985 0.630 1.00 0.00 H new ATOM 263 N VAL A 17 -10.442 6.475 -2.549 1.00 0.00 N ATOM 264 CA VAL A 17 -10.749 6.889 -3.908 1.00 0.00 C ATOM 265 C VAL A 17 -11.099 5.657 -4.745 1.00 0.00 C ATOM 266 O VAL A 17 -10.907 4.525 -4.302 1.00 0.00 O ATOM 267 CB VAL A 17 -9.583 7.692 -4.486 1.00 0.00 C ATOM 268 CG1 VAL A 17 -9.955 8.303 -5.839 1.00 0.00 C ATOM 269 CG2 VAL A 17 -9.121 8.772 -3.506 1.00 0.00 C ATOM 0 H VAL A 17 -9.645 5.843 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.617 7.548 -3.920 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.751 7.006 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.108 8.869 -6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.212 7.508 -6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.810 8.968 -5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.291 9.328 -3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.946 9.454 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.796 8.305 -2.576 1.00 0.00 H new ATOM 279 N LYS A 18 -11.607 5.918 -5.941 1.00 0.00 N ATOM 280 CA LYS A 18 -11.986 4.844 -6.844 1.00 0.00 C ATOM 281 C LYS A 18 -10.758 4.395 -7.638 1.00 0.00 C ATOM 282 O LYS A 18 -9.643 4.397 -7.118 1.00 0.00 O ATOM 283 CB LYS A 18 -13.163 5.273 -7.721 1.00 0.00 C ATOM 284 CG LYS A 18 -14.127 4.107 -7.954 1.00 0.00 C ATOM 285 CD LYS A 18 -14.534 4.018 -9.426 1.00 0.00 C ATOM 286 CE LYS A 18 -15.924 3.396 -9.573 1.00 0.00 C ATOM 287 NZ LYS A 18 -16.898 4.408 -10.042 1.00 0.00 N ATOM 0 H LYS A 18 -11.765 6.857 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.336 3.978 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.693 6.098 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.793 5.640 -8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.656 3.174 -7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.015 4.235 -7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.528 5.014 -9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.805 3.421 -9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.885 2.566 -10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.249 2.986 -8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.836 3.969 -10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.948 5.187 -9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.595 4.780 -10.965 1.00 0.00 H new ATOM 300 N GLN A 19 -11.004 4.021 -8.885 1.00 0.00 N ATOM 301 CA GLN A 19 -9.932 3.570 -9.757 1.00 0.00 C ATOM 302 C GLN A 19 -9.619 4.636 -10.808 1.00 0.00 C ATOM 303 O GLN A 19 -8.455 4.952 -11.050 1.00 0.00 O ATOM 304 CB GLN A 19 -10.287 2.236 -10.417 1.00 0.00 C ATOM 305 CG GLN A 19 -9.981 1.064 -9.483 1.00 0.00 C ATOM 306 CD GLN A 19 -11.271 0.398 -8.998 1.00 0.00 C ATOM 307 OE1 GLN A 19 -11.905 -0.372 -9.700 1.00 0.00 O ATOM 308 NE2 GLN A 19 -11.623 0.738 -7.761 1.00 0.00 N ATOM 0 H GLN A 19 -11.930 4.021 -9.313 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.039 3.412 -9.152 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.344 2.228 -10.683 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.724 2.124 -11.344 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.363 0.332 -10.003 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.406 1.417 -8.627 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.047 1.389 -7.227 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.469 0.348 -7.346 1.00 0.00 H new ATOM 317 N GLU A 20 -10.679 5.162 -11.406 1.00 0.00 N ATOM 318 CA GLU A 20 -10.531 6.186 -12.426 1.00 0.00 C ATOM 319 C GLU A 20 -9.925 7.454 -11.821 1.00 0.00 C ATOM 320 O GLU A 20 -9.298 8.243 -12.526 1.00 0.00 O ATOM 321 CB GLU A 20 -11.872 6.487 -13.098 1.00 0.00 C ATOM 322 CG GLU A 20 -11.724 6.532 -14.620 1.00 0.00 C ATOM 323 CD GLU A 20 -12.924 7.226 -15.268 1.00 0.00 C ATOM 324 OE1 GLU A 20 -12.758 8.259 -15.934 1.00 0.00 O ATOM 325 OE2 GLU A 20 -14.062 6.655 -15.060 1.00 0.00 O ATOM 0 H GLU A 20 -11.643 4.898 -11.203 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.852 5.812 -13.193 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.600 5.724 -12.822 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.257 7.441 -12.738 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.808 7.060 -14.884 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.632 5.518 -15.010 1.00 0.00 H new ATOM 333 N GLU A 21 -10.133 7.610 -10.522 1.00 0.00 N ATOM 334 CA GLU A 21 -9.614 8.768 -9.814 1.00 0.00 C ATOM 335 C GLU A 21 -8.214 8.476 -9.272 1.00 0.00 C ATOM 336 O GLU A 21 -7.498 9.390 -8.865 1.00 0.00 O ATOM 337 CB GLU A 21 -10.560 9.193 -8.690 1.00 0.00 C ATOM 338 CG GLU A 21 -11.577 10.222 -9.187 1.00 0.00 C ATOM 339 CD GLU A 21 -13.006 9.695 -9.045 1.00 0.00 C ATOM 340 OE1 GLU A 21 -13.649 9.920 -8.009 1.00 0.00 O ATOM 341 OE2 GLU A 21 -13.446 9.030 -10.059 1.00 0.00 O ATOM 0 H GLU A 21 -10.654 6.953 -9.941 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.544 9.598 -10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.082 8.319 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.985 9.614 -7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.469 11.147 -8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.376 10.462 -10.231 1.00 0.00 H new ATOM 349 N VAL A 22 -7.864 7.198 -9.283 1.00 0.00 N ATOM 350 CA VAL A 22 -6.562 6.774 -8.798 1.00 0.00 C ATOM 351 C VAL A 22 -5.850 5.976 -9.892 1.00 0.00 C ATOM 352 O VAL A 22 -5.119 5.030 -9.599 1.00 0.00 O ATOM 353 CB VAL A 22 -6.720 5.990 -7.493 1.00 0.00 C ATOM 354 CG1 VAL A 22 -6.851 4.490 -7.767 1.00 0.00 C ATOM 355 CG2 VAL A 22 -5.559 6.274 -6.539 1.00 0.00 C ATOM 0 H VAL A 22 -8.460 6.442 -9.620 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.939 7.639 -8.569 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.639 6.324 -7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.962 3.956 -6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.726 4.309 -8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.958 4.135 -8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.696 5.705 -5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.621 5.982 -7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.532 7.338 -6.306 1.00 0.00 H new ATOM 365 N THR A 23 -6.086 6.387 -11.129 1.00 0.00 N ATOM 366 CA THR A 23 -5.476 5.723 -12.268 1.00 0.00 C ATOM 367 C THR A 23 -4.045 5.297 -11.933 1.00 0.00 C ATOM 368 O THR A 23 -3.400 5.896 -11.074 1.00 0.00 O ATOM 369 CB THR A 23 -5.565 6.666 -13.469 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.340 7.958 -12.912 1.00 0.00 O ATOM 371 CG2 THR A 23 -6.980 6.750 -14.045 1.00 0.00 C ATOM 0 H THR A 23 -6.692 7.172 -11.368 1.00 0.00 H new ATOM 0 HA THR A 23 -6.005 4.804 -12.520 1.00 0.00 H new ATOM 0 HB THR A 23 -4.877 6.331 -14.245 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.186 8.452 -12.879 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.987 7.432 -14.895 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.299 5.760 -14.372 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.663 7.117 -13.279 1.00 0.00 H new ATOM 379 N ASN A 24 -3.590 4.266 -12.630 1.00 0.00 N ATOM 380 CA ASN A 24 -2.247 3.754 -12.418 1.00 0.00 C ATOM 381 C ASN A 24 -1.228 4.814 -12.841 1.00 0.00 C ATOM 382 O ASN A 24 -0.639 4.720 -13.917 1.00 0.00 O ATOM 383 CB ASN A 24 -1.998 2.498 -13.256 1.00 0.00 C ATOM 384 CG ASN A 24 -2.556 2.663 -14.670 1.00 0.00 C ATOM 385 OD1 ASN A 24 -3.756 2.705 -14.891 1.00 0.00 O ATOM 386 ND2 ASN A 24 -1.623 2.754 -15.613 1.00 0.00 N ATOM 0 H ASN A 24 -4.128 3.772 -13.342 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.143 3.509 -11.361 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.928 2.295 -13.305 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.464 1.638 -12.775 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.894 2.866 -16.590 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.636 2.712 -15.360 1.00 0.00 H new ATOM 393 N ASN A 25 -1.052 5.799 -11.972 1.00 0.00 N ATOM 394 CA ASN A 25 -0.115 6.876 -12.243 1.00 0.00 C ATOM 395 C ASN A 25 -0.235 7.937 -11.147 1.00 0.00 C ATOM 396 O ASN A 25 0.751 8.582 -10.792 1.00 0.00 O ATOM 397 CB ASN A 25 -0.417 7.546 -13.584 1.00 0.00 C ATOM 398 CG ASN A 25 0.873 7.956 -14.296 1.00 0.00 C ATOM 399 OD1 ASN A 25 1.917 7.343 -14.146 1.00 0.00 O ATOM 400 ND2 ASN A 25 0.744 9.025 -15.077 1.00 0.00 N ATOM 0 H ASN A 25 -1.542 5.874 -11.081 1.00 0.00 H new ATOM 0 HA ASN A 25 0.888 6.451 -12.271 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.984 6.863 -14.216 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.042 8.424 -13.423 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.549 9.378 -15.595 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.159 9.492 -15.158 1.00 0.00 H new ATOM 407 N ALA A 26 -1.450 8.085 -10.641 1.00 0.00 N ATOM 408 CA ALA A 26 -1.711 9.057 -9.593 1.00 0.00 C ATOM 409 C ALA A 26 -0.510 9.117 -8.648 1.00 0.00 C ATOM 410 O ALA A 26 0.059 8.085 -8.295 1.00 0.00 O ATOM 411 CB ALA A 26 -3.007 8.689 -8.866 1.00 0.00 C ATOM 0 H ALA A 26 -2.265 7.548 -10.937 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.846 10.052 -10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.203 9.418 -8.080 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.835 8.689 -9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.908 7.697 -8.425 1.00 0.00 H new ATOM 417 N SER A 27 -0.159 10.336 -8.265 1.00 0.00 N ATOM 418 CA SER A 27 0.965 10.544 -7.368 1.00 0.00 C ATOM 419 C SER A 27 0.529 10.311 -5.920 1.00 0.00 C ATOM 420 O SER A 27 -0.573 9.823 -5.670 1.00 0.00 O ATOM 421 CB SER A 27 1.545 11.950 -7.528 1.00 0.00 C ATOM 422 OG SER A 27 1.053 12.601 -8.696 1.00 0.00 O ATOM 0 H SER A 27 -0.633 11.190 -8.560 1.00 0.00 H new ATOM 0 HA SER A 27 1.745 9.828 -7.626 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.298 12.546 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.632 11.890 -7.577 1.00 0.00 H new ATOM 0 HG SER A 27 1.446 13.497 -8.761 1.00 0.00 H new ATOM 428 N PHE A 28 1.415 10.671 -5.003 1.00 0.00 N ATOM 429 CA PHE A 28 1.135 10.507 -3.587 1.00 0.00 C ATOM 430 C PHE A 28 1.310 11.830 -2.837 1.00 0.00 C ATOM 431 O PHE A 28 0.369 12.326 -2.219 1.00 0.00 O ATOM 432 CB PHE A 28 2.143 9.491 -3.046 1.00 0.00 C ATOM 433 CG PHE A 28 1.593 8.069 -2.932 1.00 0.00 C ATOM 434 CD1 PHE A 28 1.445 7.305 -4.048 1.00 0.00 C ATOM 435 CD2 PHE A 28 1.251 7.567 -1.715 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.934 5.984 -3.942 1.00 0.00 C ATOM 437 CE2 PHE A 28 0.740 6.246 -1.609 1.00 0.00 C ATOM 438 CZ PHE A 28 0.592 5.483 -2.725 1.00 0.00 C ATOM 0 H PHE A 28 2.327 11.076 -5.213 1.00 0.00 H new ATOM 0 HA PHE A 28 0.107 10.174 -3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.017 9.480 -3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.481 9.819 -2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.716 7.703 -5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.368 8.173 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.817 5.377 -4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.469 5.848 -0.642 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.203 4.479 -2.645 1.00 0.00 H new ATOM 448 N VAL A 29 2.520 12.363 -2.917 1.00 0.00 N ATOM 449 CA VAL A 29 2.830 13.618 -2.254 1.00 0.00 C ATOM 450 C VAL A 29 2.149 14.767 -3.001 1.00 0.00 C ATOM 451 O VAL A 29 1.953 15.845 -2.443 1.00 0.00 O ATOM 452 CB VAL A 29 4.346 13.792 -2.144 1.00 0.00 C ATOM 453 CG1 VAL A 29 4.698 15.013 -1.292 1.00 0.00 C ATOM 454 CG2 VAL A 29 5.004 12.528 -1.589 1.00 0.00 C ATOM 0 H VAL A 29 3.298 11.949 -3.431 1.00 0.00 H new ATOM 0 HA VAL A 29 2.442 13.617 -1.235 1.00 0.00 H new ATOM 0 HB VAL A 29 4.737 13.960 -3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.782 15.113 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.276 15.909 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.287 14.888 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.081 12.679 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.604 12.315 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.796 11.688 -2.252 1.00 0.00 H new ATOM 464 N GLU A 30 1.806 14.495 -4.252 1.00 0.00 N ATOM 465 CA GLU A 30 1.151 15.493 -5.081 1.00 0.00 C ATOM 466 C GLU A 30 -0.336 15.164 -5.231 1.00 0.00 C ATOM 467 O GLU A 30 -1.154 16.058 -5.441 1.00 0.00 O ATOM 468 CB GLU A 30 1.830 15.600 -6.448 1.00 0.00 C ATOM 469 CG GLU A 30 2.910 16.684 -6.440 1.00 0.00 C ATOM 470 CD GLU A 30 2.820 17.557 -7.693 1.00 0.00 C ATOM 471 OE1 GLU A 30 2.995 17.055 -8.813 1.00 0.00 O ATOM 472 OE2 GLU A 30 2.557 18.801 -7.473 1.00 0.00 O ATOM 0 H GLU A 30 1.969 13.599 -4.711 1.00 0.00 H new ATOM 0 HA GLU A 30 1.241 16.462 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.274 14.641 -6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.086 15.829 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.800 17.305 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.895 16.221 -6.385 1.00 0.00 H new ATOM 480 N ASP A 31 -0.640 13.880 -5.118 1.00 0.00 N ATOM 481 CA ASP A 31 -2.014 13.422 -5.239 1.00 0.00 C ATOM 482 C ASP A 31 -2.630 13.299 -3.844 1.00 0.00 C ATOM 483 O ASP A 31 -3.538 14.052 -3.494 1.00 0.00 O ATOM 484 CB ASP A 31 -2.080 12.048 -5.908 1.00 0.00 C ATOM 485 CG ASP A 31 -3.282 11.835 -6.831 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.247 11.145 -6.472 1.00 0.00 O ATOM 487 OD2 ASP A 31 -3.199 12.421 -7.977 1.00 0.00 O ATOM 0 H ASP A 31 0.042 13.142 -4.944 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.558 14.145 -5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.167 11.897 -6.484 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.097 11.283 -5.132 1.00 0.00 H new ATOM 493 N LEU A 32 -2.112 12.344 -3.085 1.00 0.00 N ATOM 494 CA LEU A 32 -2.600 12.113 -1.736 1.00 0.00 C ATOM 495 C LEU A 32 -1.774 12.942 -0.751 1.00 0.00 C ATOM 496 O LEU A 32 -1.675 12.596 0.426 1.00 0.00 O ATOM 497 CB LEU A 32 -2.614 10.616 -1.421 1.00 0.00 C ATOM 498 CG LEU A 32 -3.898 9.866 -1.783 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.068 10.330 -0.913 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.206 9.995 -3.275 1.00 0.00 C ATOM 0 H LEU A 32 -1.359 11.721 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.634 12.444 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.782 10.147 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.430 10.488 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.745 8.807 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.968 9.781 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.838 10.143 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.233 11.397 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.123 9.453 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.332 11.047 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.382 9.577 -3.854 1.00 0.00 H new ATOM 512 N GLY A 33 -1.203 14.020 -1.267 1.00 0.00 N ATOM 513 CA GLY A 33 -0.389 14.900 -0.447 1.00 0.00 C ATOM 514 C GLY A 33 0.440 14.101 0.561 1.00 0.00 C ATOM 515 O GLY A 33 0.747 14.592 1.646 1.00 0.00 O ATOM 0 H GLY A 33 -1.288 14.304 -2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.273 15.487 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.030 15.605 0.082 1.00 0.00 H new ATOM 519 N ALA A 34 0.777 12.882 0.167 1.00 0.00 N ATOM 520 CA ALA A 34 1.564 12.009 1.022 1.00 0.00 C ATOM 521 C ALA A 34 0.970 12.014 2.432 1.00 0.00 C ATOM 522 O ALA A 34 1.409 12.776 3.292 1.00 0.00 O ATOM 523 CB ALA A 34 3.026 12.460 1.004 1.00 0.00 C ATOM 0 H ALA A 34 0.519 12.478 -0.733 1.00 0.00 H new ATOM 0 HA ALA A 34 1.535 10.983 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.617 11.806 1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.409 12.412 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.095 13.485 1.369 1.00 0.00 H new ATOM 529 N ASP A 35 -0.020 11.154 2.625 1.00 0.00 N ATOM 530 CA ASP A 35 -0.678 11.049 3.916 1.00 0.00 C ATOM 531 C ASP A 35 -0.052 9.902 4.711 1.00 0.00 C ATOM 532 O ASP A 35 0.113 8.799 4.192 1.00 0.00 O ATOM 533 CB ASP A 35 -2.170 10.751 3.751 1.00 0.00 C ATOM 534 CG ASP A 35 -2.905 11.659 2.762 1.00 0.00 C ATOM 535 OD1 ASP A 35 -2.792 12.892 2.822 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.629 11.042 1.891 1.00 0.00 O ATOM 0 H ASP A 35 -0.382 10.524 1.909 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.555 11.999 4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.285 9.717 3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.652 10.835 4.725 1.00 0.00 H new ATOM 542 N SER A 36 0.279 10.201 5.959 1.00 0.00 N ATOM 543 CA SER A 36 0.883 9.208 6.831 1.00 0.00 C ATOM 544 C SER A 36 0.138 7.877 6.704 1.00 0.00 C ATOM 545 O SER A 36 0.760 6.824 6.570 1.00 0.00 O ATOM 546 CB SER A 36 0.882 9.680 8.286 1.00 0.00 C ATOM 547 OG SER A 36 2.184 10.061 8.725 1.00 0.00 O ATOM 0 H SER A 36 0.140 11.117 6.387 1.00 0.00 H new ATOM 0 HA SER A 36 1.919 9.068 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.202 10.525 8.392 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.503 8.883 8.925 1.00 0.00 H new ATOM 0 HG SER A 36 2.141 10.358 9.658 1.00 0.00 H new ATOM 553 N LEU A 37 -1.183 7.968 6.751 1.00 0.00 N ATOM 554 CA LEU A 37 -2.019 6.785 6.643 1.00 0.00 C ATOM 555 C LEU A 37 -1.712 6.067 5.327 1.00 0.00 C ATOM 556 O LEU A 37 -1.709 4.838 5.272 1.00 0.00 O ATOM 557 CB LEU A 37 -3.494 7.154 6.813 1.00 0.00 C ATOM 558 CG LEU A 37 -3.921 8.500 6.225 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.239 8.371 5.460 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.991 9.575 7.311 1.00 0.00 C ATOM 0 H LEU A 37 -1.695 8.843 6.862 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.795 6.085 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.099 6.372 6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.727 7.155 7.878 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.163 8.816 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.520 9.342 5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.119 7.657 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.019 8.022 6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.297 10.522 6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.716 9.279 8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.010 9.691 7.772 1.00 0.00 H new ATOM 572 N ASP A 38 -1.461 6.865 4.299 1.00 0.00 N ATOM 573 CA ASP A 38 -1.154 6.322 2.987 1.00 0.00 C ATOM 574 C ASP A 38 0.229 5.669 3.022 1.00 0.00 C ATOM 575 O ASP A 38 0.386 4.517 2.620 1.00 0.00 O ATOM 576 CB ASP A 38 -1.131 7.424 1.926 1.00 0.00 C ATOM 577 CG ASP A 38 -2.289 7.384 0.927 1.00 0.00 C ATOM 578 OD1 ASP A 38 -2.083 7.206 -0.282 1.00 0.00 O ATOM 579 OD2 ASP A 38 -3.460 7.549 1.444 1.00 0.00 O ATOM 0 H ASP A 38 -1.464 7.884 4.349 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.925 5.595 2.734 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.138 8.391 2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.193 7.357 1.375 1.00 0.00 H new ATOM 585 N THR A 39 1.197 6.433 3.506 1.00 0.00 N ATOM 586 CA THR A 39 2.562 5.943 3.598 1.00 0.00 C ATOM 587 C THR A 39 2.637 4.749 4.551 1.00 0.00 C ATOM 588 O THR A 39 3.481 3.870 4.385 1.00 0.00 O ATOM 589 CB THR A 39 3.456 7.112 4.017 1.00 0.00 C ATOM 590 OG1 THR A 39 3.502 7.946 2.862 1.00 0.00 O ATOM 591 CG2 THR A 39 4.911 6.689 4.229 1.00 0.00 C ATOM 0 H THR A 39 1.063 7.388 3.839 1.00 0.00 H new ATOM 0 HA THR A 39 2.915 5.573 2.636 1.00 0.00 H new ATOM 0 HB THR A 39 3.069 7.554 4.935 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.060 8.730 3.047 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.502 7.555 4.525 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.959 5.932 5.012 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.309 6.278 3.301 1.00 0.00 H new ATOM 599 N VAL A 40 1.742 4.755 5.527 1.00 0.00 N ATOM 600 CA VAL A 40 1.696 3.683 6.507 1.00 0.00 C ATOM 601 C VAL A 40 0.920 2.500 5.925 1.00 0.00 C ATOM 602 O VAL A 40 1.341 1.351 6.056 1.00 0.00 O ATOM 603 CB VAL A 40 1.104 4.199 7.820 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.639 3.040 8.705 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.105 5.087 8.561 1.00 0.00 C ATOM 0 H VAL A 40 1.043 5.485 5.661 1.00 0.00 H new ATOM 0 HA VAL A 40 2.702 3.331 6.736 1.00 0.00 H new ATOM 0 HB VAL A 40 0.232 4.807 7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.222 3.434 9.632 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.124 2.465 8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.487 2.394 8.934 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.659 5.440 9.491 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.004 4.513 8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.366 5.941 7.936 1.00 0.00 H new ATOM 615 N GLU A 41 -0.201 2.820 5.295 1.00 0.00 N ATOM 616 CA GLU A 41 -1.040 1.798 4.693 1.00 0.00 C ATOM 617 C GLU A 41 -0.270 1.057 3.598 1.00 0.00 C ATOM 618 O GLU A 41 -0.602 -0.078 3.261 1.00 0.00 O ATOM 619 CB GLU A 41 -2.332 2.404 4.142 1.00 0.00 C ATOM 620 CG GLU A 41 -3.374 2.574 5.250 1.00 0.00 C ATOM 621 CD GLU A 41 -4.616 1.725 4.970 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.577 0.836 4.106 1.00 0.00 O ATOM 623 OE2 GLU A 41 -5.648 2.015 5.687 1.00 0.00 O ATOM 0 H GLU A 41 -0.548 3.773 5.188 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.316 1.080 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.119 3.371 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.732 1.763 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.941 2.287 6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.657 3.624 5.330 1.00 0.00 H new ATOM 631 N LEU A 42 0.743 1.730 3.072 1.00 0.00 N ATOM 632 CA LEU A 42 1.562 1.151 2.022 1.00 0.00 C ATOM 633 C LEU A 42 2.514 0.121 2.633 1.00 0.00 C ATOM 634 O LEU A 42 2.872 -0.861 1.984 1.00 0.00 O ATOM 635 CB LEU A 42 2.272 2.249 1.228 1.00 0.00 C ATOM 636 CG LEU A 42 2.276 2.081 -0.293 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.404 3.144 -0.964 1.00 0.00 C ATOM 638 CD2 LEU A 42 3.705 2.082 -0.841 1.00 0.00 C ATOM 0 H LEU A 42 1.015 2.672 3.354 1.00 0.00 H new ATOM 0 HA LEU A 42 0.938 0.622 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.803 3.204 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.305 2.307 1.570 1.00 0.00 H new ATOM 0 HG LEU A 42 1.841 1.110 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.424 3.002 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.379 3.053 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.787 4.135 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.679 1.961 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.189 3.026 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.265 1.259 -0.397 1.00 0.00 H new ATOM 650 N VAL A 43 2.897 0.380 3.875 1.00 0.00 N ATOM 651 CA VAL A 43 3.800 -0.512 4.581 1.00 0.00 C ATOM 652 C VAL A 43 3.014 -1.714 5.109 1.00 0.00 C ATOM 653 O VAL A 43 3.573 -2.794 5.292 1.00 0.00 O ATOM 654 CB VAL A 43 4.535 0.252 5.684 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.638 -0.606 6.306 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.100 1.571 5.154 1.00 0.00 C ATOM 0 H VAL A 43 2.598 1.195 4.410 1.00 0.00 H new ATOM 0 HA VAL A 43 4.564 -0.895 3.904 1.00 0.00 H new ATOM 0 HB VAL A 43 3.813 0.486 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.144 -0.038 7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.199 -1.506 6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.358 -0.887 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.617 2.094 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.800 1.367 4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.285 2.192 4.782 1.00 0.00 H new ATOM 666 N MET A 44 1.729 -1.486 5.338 1.00 0.00 N ATOM 667 CA MET A 44 0.861 -2.537 5.841 1.00 0.00 C ATOM 668 C MET A 44 0.211 -3.309 4.691 1.00 0.00 C ATOM 669 O MET A 44 0.098 -4.532 4.746 1.00 0.00 O ATOM 670 CB MET A 44 -0.228 -1.921 6.722 1.00 0.00 C ATOM 671 CG MET A 44 0.369 -1.335 8.003 1.00 0.00 C ATOM 672 SD MET A 44 -0.889 -1.213 9.263 1.00 0.00 S ATOM 673 CE MET A 44 0.139 -1.090 10.717 1.00 0.00 C ATOM 0 H MET A 44 1.268 -0.589 5.184 1.00 0.00 H new ATOM 0 HA MET A 44 1.464 -3.232 6.425 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.749 -1.140 6.169 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.968 -2.680 6.976 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.187 -1.964 8.354 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.789 -0.350 7.801 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.491 -1.006 11.602 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.762 -1.981 10.798 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.775 -0.208 10.639 1.00 0.00 H new ATOM 683 N ALA A 45 -0.199 -2.562 3.676 1.00 0.00 N ATOM 684 CA ALA A 45 -0.834 -3.161 2.515 1.00 0.00 C ATOM 685 C ALA A 45 0.122 -4.175 1.883 1.00 0.00 C ATOM 686 O ALA A 45 -0.273 -5.299 1.577 1.00 0.00 O ATOM 687 CB ALA A 45 -1.248 -2.061 1.535 1.00 0.00 C ATOM 0 H ALA A 45 -0.104 -1.547 3.634 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.738 -3.696 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.724 -2.510 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.949 -1.384 2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.366 -1.504 1.219 1.00 0.00 H new ATOM 693 N LEU A 46 1.361 -3.741 1.705 1.00 0.00 N ATOM 694 CA LEU A 46 2.376 -4.597 1.114 1.00 0.00 C ATOM 695 C LEU A 46 2.709 -5.730 2.086 1.00 0.00 C ATOM 696 O LEU A 46 3.082 -6.824 1.665 1.00 0.00 O ATOM 697 CB LEU A 46 3.593 -3.771 0.691 1.00 0.00 C ATOM 698 CG LEU A 46 3.362 -2.768 -0.441 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.692 -2.246 -0.990 1.00 0.00 C ATOM 700 CD2 LEU A 46 2.487 -3.374 -1.540 1.00 0.00 C ATOM 0 H LEU A 46 1.685 -2.808 1.960 1.00 0.00 H new ATOM 0 HA LEU A 46 2.001 -5.060 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.959 -3.228 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.384 -4.456 0.387 1.00 0.00 H new ATOM 0 HG LEU A 46 2.823 -1.912 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.500 -1.535 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.246 -1.751 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.279 -3.080 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.338 -2.641 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.977 -4.257 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.521 -3.657 -1.121 1.00 0.00 H new ATOM 712 N GLU A 47 2.564 -5.430 3.368 1.00 0.00 N ATOM 713 CA GLU A 47 2.845 -6.410 4.404 1.00 0.00 C ATOM 714 C GLU A 47 1.765 -7.493 4.416 1.00 0.00 C ATOM 715 O GLU A 47 2.073 -8.681 4.487 1.00 0.00 O ATOM 716 CB GLU A 47 2.967 -5.740 5.774 1.00 0.00 C ATOM 717 CG GLU A 47 4.419 -5.737 6.256 1.00 0.00 C ATOM 718 CD GLU A 47 4.525 -6.285 7.680 1.00 0.00 C ATOM 719 OE1 GLU A 47 3.846 -7.265 8.020 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.350 -5.655 8.446 1.00 0.00 O ATOM 0 H GLU A 47 2.255 -4.521 3.714 1.00 0.00 H new ATOM 0 HA GLU A 47 3.802 -6.882 4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.597 -4.716 5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.341 -6.265 6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.030 -6.340 5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.815 -4.722 6.223 1.00 0.00 H new ATOM 728 N GLU A 48 0.520 -7.043 4.347 1.00 0.00 N ATOM 729 CA GLU A 48 -0.608 -7.959 4.350 1.00 0.00 C ATOM 730 C GLU A 48 -0.727 -8.659 2.994 1.00 0.00 C ATOM 731 O GLU A 48 -1.455 -9.641 2.861 1.00 0.00 O ATOM 732 CB GLU A 48 -1.905 -7.231 4.707 1.00 0.00 C ATOM 733 CG GLU A 48 -2.784 -8.090 5.618 1.00 0.00 C ATOM 734 CD GLU A 48 -4.090 -8.472 4.919 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.066 -8.925 3.765 1.00 0.00 O ATOM 736 OE2 GLU A 48 -5.158 -8.283 5.617 1.00 0.00 O ATOM 0 H GLU A 48 0.268 -6.056 4.289 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.434 -8.717 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.672 -6.289 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.451 -6.985 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.244 -8.992 5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.005 -7.545 6.536 1.00 0.00 H new ATOM 744 N GLU A 49 0.000 -8.126 2.023 1.00 0.00 N ATOM 745 CA GLU A 49 -0.015 -8.686 0.683 1.00 0.00 C ATOM 746 C GLU A 49 0.992 -9.833 0.576 1.00 0.00 C ATOM 747 O GLU A 49 0.605 -10.997 0.484 1.00 0.00 O ATOM 748 CB GLU A 49 0.268 -7.609 -0.366 1.00 0.00 C ATOM 749 CG GLU A 49 -0.220 -8.047 -1.748 1.00 0.00 C ATOM 750 CD GLU A 49 0.935 -8.084 -2.751 1.00 0.00 C ATOM 751 OE1 GLU A 49 1.991 -7.483 -2.503 1.00 0.00 O ATOM 752 OE2 GLU A 49 0.706 -8.769 -3.820 1.00 0.00 O ATOM 0 H GLU A 49 0.603 -7.312 2.138 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.011 -9.083 0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.225 -6.680 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.338 -7.404 -0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.679 -9.033 -1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.990 -7.361 -2.100 1.00 0.00 H new ATOM 760 N PHE A 50 2.265 -9.465 0.593 1.00 0.00 N ATOM 761 CA PHE A 50 3.330 -10.448 0.499 1.00 0.00 C ATOM 762 C PHE A 50 4.346 -10.265 1.628 1.00 0.00 C ATOM 763 O PHE A 50 5.518 -10.607 1.475 1.00 0.00 O ATOM 764 CB PHE A 50 4.030 -10.223 -0.843 1.00 0.00 C ATOM 765 CG PHE A 50 3.648 -11.238 -1.922 1.00 0.00 C ATOM 766 CD1 PHE A 50 4.069 -12.528 -1.822 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.888 -10.851 -2.982 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.715 -13.470 -2.823 1.00 0.00 C ATOM 769 CE2 PHE A 50 2.534 -11.794 -3.983 1.00 0.00 C ATOM 770 CZ PHE A 50 2.955 -13.083 -3.883 1.00 0.00 C ATOM 0 H PHE A 50 2.582 -8.499 0.671 1.00 0.00 H new ATOM 0 HA PHE A 50 2.916 -11.453 0.578 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.793 -9.221 -1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.108 -10.260 -0.689 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.673 -12.835 -0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.554 -9.827 -3.062 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.049 -14.494 -2.743 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.930 -11.487 -4.824 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.686 -13.800 -4.645 1.00 0.00 H new ATOM 780 N ASP A 51 3.861 -9.726 2.736 1.00 0.00 N ATOM 781 CA ASP A 51 4.712 -9.493 3.890 1.00 0.00 C ATOM 782 C ASP A 51 6.091 -9.029 3.416 1.00 0.00 C ATOM 783 O ASP A 51 7.088 -9.716 3.631 1.00 0.00 O ATOM 784 CB ASP A 51 4.898 -10.774 4.705 1.00 0.00 C ATOM 785 CG ASP A 51 5.999 -10.712 5.766 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.018 -9.807 6.614 1.00 0.00 O ATOM 787 OD2 ASP A 51 6.875 -11.656 5.699 1.00 0.00 O ATOM 0 H ASP A 51 2.889 -9.444 2.859 1.00 0.00 H new ATOM 0 HA ASP A 51 4.236 -8.736 4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.955 -11.015 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.119 -11.593 4.021 1.00 0.00 H new ATOM 793 N THR A 52 6.103 -7.867 2.780 1.00 0.00 N ATOM 794 CA THR A 52 7.343 -7.304 2.274 1.00 0.00 C ATOM 795 C THR A 52 7.733 -6.063 3.079 1.00 0.00 C ATOM 796 O THR A 52 8.872 -5.604 3.008 1.00 0.00 O ATOM 797 CB THR A 52 7.161 -7.027 0.780 1.00 0.00 C ATOM 798 OG1 THR A 52 8.483 -6.777 0.310 1.00 0.00 O ATOM 799 CG2 THR A 52 6.417 -5.716 0.514 1.00 0.00 C ATOM 0 H THR A 52 5.274 -7.300 2.604 1.00 0.00 H new ATOM 0 HA THR A 52 8.172 -8.002 2.392 1.00 0.00 H new ATOM 0 HB THR A 52 6.617 -7.853 0.321 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.458 -6.589 -0.652 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.315 -5.567 -0.561 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.428 -5.760 0.970 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.978 -4.886 0.943 1.00 0.00 H new ATOM 807 N GLU A 53 6.765 -5.554 3.827 1.00 0.00 N ATOM 808 CA GLU A 53 6.993 -4.375 4.645 1.00 0.00 C ATOM 809 C GLU A 53 7.862 -3.366 3.892 1.00 0.00 C ATOM 810 O GLU A 53 9.089 -3.425 3.960 1.00 0.00 O ATOM 811 CB GLU A 53 7.626 -4.751 5.986 1.00 0.00 C ATOM 812 CG GLU A 53 8.654 -5.871 5.811 1.00 0.00 C ATOM 813 CD GLU A 53 9.271 -6.263 7.156 1.00 0.00 C ATOM 814 OE1 GLU A 53 9.694 -5.386 7.923 1.00 0.00 O ATOM 815 OE2 GLU A 53 9.301 -7.531 7.392 1.00 0.00 O ATOM 0 H GLU A 53 5.821 -5.937 3.884 1.00 0.00 H new ATOM 0 HA GLU A 53 6.029 -3.910 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.107 -3.876 6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.850 -5.070 6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.177 -6.740 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.439 -5.546 5.128 1.00 0.00 H new ATOM 823 N ILE A 54 7.193 -2.463 3.191 1.00 0.00 N ATOM 824 CA ILE A 54 7.889 -1.443 2.425 1.00 0.00 C ATOM 825 C ILE A 54 8.568 -0.465 3.387 1.00 0.00 C ATOM 826 O ILE A 54 7.953 -0.005 4.347 1.00 0.00 O ATOM 827 CB ILE A 54 6.935 -0.770 1.436 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.627 -0.511 0.097 1.00 0.00 C ATOM 829 CG2 ILE A 54 6.340 0.507 2.031 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.302 0.862 0.086 1.00 0.00 C ATOM 0 H ILE A 54 6.175 -2.416 3.137 1.00 0.00 H new ATOM 0 HA ILE A 54 8.675 -1.892 1.818 1.00 0.00 H new ATOM 0 HB ILE A 54 6.106 -1.451 1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.370 -1.287 -0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.897 -0.568 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.666 0.966 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.787 0.263 2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.142 1.204 2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.787 1.021 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.553 1.637 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.048 0.907 0.879 1.00 0.00 H new ATOM 842 N PRO A 55 9.861 -0.169 3.087 1.00 0.00 N ATOM 843 CA PRO A 55 10.630 0.746 3.913 1.00 0.00 C ATOM 844 C PRO A 55 10.205 2.195 3.668 1.00 0.00 C ATOM 845 O PRO A 55 9.136 2.447 3.115 1.00 0.00 O ATOM 846 CB PRO A 55 12.081 0.483 3.545 1.00 0.00 C ATOM 847 CG PRO A 55 12.049 -0.231 2.204 1.00 0.00 C ATOM 848 CD PRO A 55 10.622 -0.695 1.957 1.00 0.00 C ATOM 0 HA PRO A 55 10.468 0.587 4.979 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.642 1.415 3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.571 -0.130 4.302 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.376 0.437 1.408 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.732 -1.081 2.208 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.240 -0.314 1.010 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.561 -1.782 1.910 1.00 0.00 H new ATOM 856 N ASP A 56 11.064 3.110 4.094 1.00 0.00 N ATOM 857 CA ASP A 56 10.791 4.528 3.928 1.00 0.00 C ATOM 858 C ASP A 56 11.573 5.056 2.724 1.00 0.00 C ATOM 859 O ASP A 56 11.294 6.146 2.227 1.00 0.00 O ATOM 860 CB ASP A 56 11.228 5.321 5.161 1.00 0.00 C ATOM 861 CG ASP A 56 10.138 6.191 5.790 1.00 0.00 C ATOM 862 OD1 ASP A 56 9.035 6.331 5.240 1.00 0.00 O ATOM 863 OD2 ASP A 56 10.461 6.746 6.908 1.00 0.00 O ATOM 0 H ASP A 56 11.949 2.897 4.554 1.00 0.00 H new ATOM 0 HA ASP A 56 9.718 4.650 3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.593 4.622 5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.067 5.959 4.885 1.00 0.00 H new ATOM 869 N GLU A 57 12.539 4.259 2.290 1.00 0.00 N ATOM 870 CA GLU A 57 13.364 4.633 1.154 1.00 0.00 C ATOM 871 C GLU A 57 12.664 4.263 -0.155 1.00 0.00 C ATOM 872 O GLU A 57 12.354 5.134 -0.966 1.00 0.00 O ATOM 873 CB GLU A 57 14.745 3.980 1.241 1.00 0.00 C ATOM 874 CG GLU A 57 15.834 5.029 1.475 1.00 0.00 C ATOM 875 CD GLU A 57 16.227 5.092 2.952 1.00 0.00 C ATOM 876 OE1 GLU A 57 15.381 4.863 3.829 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.462 5.391 3.175 1.00 0.00 O ATOM 0 H GLU A 57 12.769 3.356 2.705 1.00 0.00 H new ATOM 0 HA GLU A 57 13.507 5.713 1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.756 3.252 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.952 3.435 0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.710 4.790 0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.479 6.006 1.148 1.00 0.00 H new ATOM 885 N GLU A 58 12.435 2.968 -0.321 1.00 0.00 N ATOM 886 CA GLU A 58 11.777 2.472 -1.518 1.00 0.00 C ATOM 887 C GLU A 58 10.382 3.085 -1.650 1.00 0.00 C ATOM 888 O GLU A 58 9.768 3.017 -2.713 1.00 0.00 O ATOM 889 CB GLU A 58 11.706 0.944 -1.511 1.00 0.00 C ATOM 890 CG GLU A 58 12.732 0.342 -2.473 1.00 0.00 C ATOM 891 CD GLU A 58 13.200 -1.031 -1.988 1.00 0.00 C ATOM 892 OE1 GLU A 58 14.396 -1.345 -2.076 1.00 0.00 O ATOM 893 OE2 GLU A 58 12.271 -1.784 -1.505 1.00 0.00 O ATOM 0 H GLU A 58 12.693 2.248 0.353 1.00 0.00 H new ATOM 0 HA GLU A 58 12.367 2.772 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.887 0.573 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.704 0.622 -1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.294 0.250 -3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.588 1.011 -2.563 1.00 0.00 H new ATOM 901 N ALA A 59 9.921 3.670 -0.554 1.00 0.00 N ATOM 902 CA ALA A 59 8.610 4.295 -0.534 1.00 0.00 C ATOM 903 C ALA A 59 8.604 5.490 -1.490 1.00 0.00 C ATOM 904 O ALA A 59 7.707 5.619 -2.321 1.00 0.00 O ATOM 905 CB ALA A 59 8.256 4.695 0.901 1.00 0.00 C ATOM 0 H ALA A 59 10.433 3.724 0.327 1.00 0.00 H new ATOM 0 HA ALA A 59 7.847 3.596 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.272 5.164 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.244 3.808 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.999 5.399 1.276 1.00 0.00 H new ATOM 911 N GLU A 60 9.615 6.333 -1.339 1.00 0.00 N ATOM 912 CA GLU A 60 9.738 7.512 -2.179 1.00 0.00 C ATOM 913 C GLU A 60 9.695 7.118 -3.656 1.00 0.00 C ATOM 914 O GLU A 60 9.039 7.780 -4.460 1.00 0.00 O ATOM 915 CB GLU A 60 11.018 8.285 -1.854 1.00 0.00 C ATOM 916 CG GLU A 60 10.724 9.774 -1.657 1.00 0.00 C ATOM 917 CD GLU A 60 11.576 10.356 -0.528 1.00 0.00 C ATOM 918 OE1 GLU A 60 11.179 10.291 0.645 1.00 0.00 O ATOM 919 OE2 GLU A 60 12.688 10.891 -0.904 1.00 0.00 O ATOM 0 H GLU A 60 10.357 6.223 -0.647 1.00 0.00 H new ATOM 0 HA GLU A 60 8.894 8.170 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.474 7.878 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.739 8.157 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.923 10.313 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.667 9.913 -1.429 1.00 0.00 H new ATOM 927 N LYS A 61 10.402 6.043 -3.970 1.00 0.00 N ATOM 928 CA LYS A 61 10.453 5.554 -5.337 1.00 0.00 C ATOM 929 C LYS A 61 9.148 4.825 -5.662 1.00 0.00 C ATOM 930 O LYS A 61 8.981 4.304 -6.764 1.00 0.00 O ATOM 931 CB LYS A 61 11.705 4.700 -5.555 1.00 0.00 C ATOM 932 CG LYS A 61 11.363 3.209 -5.526 1.00 0.00 C ATOM 933 CD LYS A 61 12.620 2.355 -5.704 1.00 0.00 C ATOM 934 CE LYS A 61 13.125 2.416 -7.147 1.00 0.00 C ATOM 935 NZ LYS A 61 14.421 3.129 -7.213 1.00 0.00 N ATOM 0 H LYS A 61 10.945 5.497 -3.301 1.00 0.00 H new ATOM 0 HA LYS A 61 10.537 6.386 -6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.161 4.954 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.441 4.923 -4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.881 2.961 -4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.649 2.981 -6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.400 2.704 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.403 1.321 -5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.238 1.406 -7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.392 2.923 -7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.750 3.161 -8.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.303 4.098 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.123 2.629 -6.631 1.00 0.00 H new ATOM 948 N ILE A 62 8.256 4.811 -4.683 1.00 0.00 N ATOM 949 CA ILE A 62 6.970 4.155 -4.851 1.00 0.00 C ATOM 950 C ILE A 62 5.854 5.116 -4.439 1.00 0.00 C ATOM 951 O ILE A 62 4.809 4.687 -3.952 1.00 0.00 O ATOM 952 CB ILE A 62 6.945 2.824 -4.096 1.00 0.00 C ATOM 953 CG1 ILE A 62 8.017 1.871 -4.630 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.550 2.197 -4.136 1.00 0.00 C ATOM 955 CD1 ILE A 62 8.299 0.748 -3.630 1.00 0.00 C ATOM 0 H ILE A 62 8.398 5.243 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 62 6.804 3.904 -5.899 1.00 0.00 H new ATOM 0 HB ILE A 62 7.180 3.020 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.690 1.445 -5.578 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.935 2.425 -4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.560 1.252 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.833 2.875 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.262 2.017 -5.172 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.064 0.085 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.649 1.176 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.385 0.181 -3.452 1.00 0.00 H new ATOM 967 N THR A 63 6.113 6.398 -4.650 1.00 0.00 N ATOM 968 CA THR A 63 5.143 7.424 -4.307 1.00 0.00 C ATOM 969 C THR A 63 4.100 7.565 -5.418 1.00 0.00 C ATOM 970 O THR A 63 3.581 8.656 -5.652 1.00 0.00 O ATOM 971 CB THR A 63 5.905 8.719 -4.021 1.00 0.00 C ATOM 972 OG1 THR A 63 6.931 8.744 -5.010 1.00 0.00 O ATOM 973 CG2 THR A 63 6.667 8.669 -2.695 1.00 0.00 C ATOM 0 H THR A 63 6.981 6.750 -5.054 1.00 0.00 H new ATOM 0 HA THR A 63 4.583 7.155 -3.411 1.00 0.00 H new ATOM 0 HB THR A 63 5.206 9.556 -4.007 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.807 8.785 -4.572 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.190 9.613 -2.540 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.965 8.505 -1.878 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.390 7.853 -2.721 1.00 0.00 H new ATOM 981 N THR A 64 3.825 6.447 -6.073 1.00 0.00 N ATOM 982 CA THR A 64 2.854 6.433 -7.154 1.00 0.00 C ATOM 983 C THR A 64 1.969 5.188 -7.059 1.00 0.00 C ATOM 984 O THR A 64 2.215 4.308 -6.236 1.00 0.00 O ATOM 985 CB THR A 64 3.616 6.536 -8.476 1.00 0.00 C ATOM 986 OG1 THR A 64 4.791 5.759 -8.261 1.00 0.00 O ATOM 987 CG2 THR A 64 4.146 7.948 -8.737 1.00 0.00 C ATOM 0 H THR A 64 4.257 5.544 -5.876 1.00 0.00 H new ATOM 0 HA THR A 64 2.175 7.283 -7.087 1.00 0.00 H new ATOM 0 HB THR A 64 2.963 6.235 -9.296 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.476 6.015 -8.913 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.679 7.967 -9.688 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.312 8.649 -8.775 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.825 8.236 -7.935 1.00 0.00 H new ATOM 995 N VAL A 65 0.956 5.154 -7.913 1.00 0.00 N ATOM 996 CA VAL A 65 0.033 4.032 -7.936 1.00 0.00 C ATOM 997 C VAL A 65 0.651 2.886 -8.740 1.00 0.00 C ATOM 998 O VAL A 65 0.899 1.809 -8.201 1.00 0.00 O ATOM 999 CB VAL A 65 -1.324 4.482 -8.481 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.319 3.321 -8.499 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -1.873 5.663 -7.678 1.00 0.00 C ATOM 0 H VAL A 65 0.754 5.886 -8.594 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.144 3.662 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.179 4.815 -9.509 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.275 3.668 -8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.935 2.522 -9.134 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.457 2.944 -7.486 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.838 5.963 -8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.995 5.369 -6.636 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.177 6.500 -7.739 1.00 0.00 H new ATOM 1011 N GLN A 66 0.880 3.158 -10.016 1.00 0.00 N ATOM 1012 CA GLN A 66 1.464 2.163 -10.900 1.00 0.00 C ATOM 1013 C GLN A 66 2.755 1.608 -10.295 1.00 0.00 C ATOM 1014 O GLN A 66 3.209 0.530 -10.675 1.00 0.00 O ATOM 1015 CB GLN A 66 1.716 2.746 -12.291 1.00 0.00 C ATOM 1016 CG GLN A 66 2.161 1.657 -13.270 1.00 0.00 C ATOM 1017 CD GLN A 66 1.032 1.296 -14.238 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.807 1.953 -15.241 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.338 0.219 -13.883 1.00 0.00 N ATOM 0 H GLN A 66 0.672 4.053 -10.459 1.00 0.00 H new ATOM 0 HA GLN A 66 0.755 1.342 -11.010 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.807 3.222 -12.660 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.480 3.521 -12.231 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.030 2.000 -13.831 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.469 0.769 -12.717 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.580 -0.285 -13.030 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.436 -0.103 -14.464 1.00 0.00 H new ATOM 1028 N ALA A 67 3.310 2.370 -9.364 1.00 0.00 N ATOM 1029 CA ALA A 67 4.540 1.967 -8.703 1.00 0.00 C ATOM 1030 C ALA A 67 4.255 0.775 -7.788 1.00 0.00 C ATOM 1031 O ALA A 67 5.120 -0.076 -7.584 1.00 0.00 O ATOM 1032 CB ALA A 67 5.124 3.160 -7.942 1.00 0.00 C ATOM 0 H ALA A 67 2.931 3.264 -9.052 1.00 0.00 H new ATOM 0 HA ALA A 67 5.284 1.650 -9.434 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.047 2.859 -7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.335 3.969 -8.641 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.406 3.503 -7.197 1.00 0.00 H new ATOM 1038 N ALA A 68 3.040 0.751 -7.260 1.00 0.00 N ATOM 1039 CA ALA A 68 2.631 -0.323 -6.372 1.00 0.00 C ATOM 1040 C ALA A 68 2.095 -1.491 -7.203 1.00 0.00 C ATOM 1041 O ALA A 68 1.646 -2.495 -6.652 1.00 0.00 O ATOM 1042 CB ALA A 68 1.599 0.205 -5.373 1.00 0.00 C ATOM 0 H ALA A 68 2.326 1.459 -7.430 1.00 0.00 H new ATOM 0 HA ALA A 68 3.481 -0.691 -5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.292 -0.601 -4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.039 1.012 -4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.730 0.581 -5.912 1.00 0.00 H new ATOM 1048 N ILE A 69 2.159 -1.320 -8.515 1.00 0.00 N ATOM 1049 CA ILE A 69 1.685 -2.346 -9.427 1.00 0.00 C ATOM 1050 C ILE A 69 2.880 -2.975 -10.146 1.00 0.00 C ATOM 1051 O ILE A 69 2.813 -4.123 -10.582 1.00 0.00 O ATOM 1052 CB ILE A 69 0.629 -1.775 -10.375 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.725 -1.644 -9.674 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.533 -2.608 -11.655 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -1.125 -0.175 -9.524 1.00 0.00 C ATOM 0 H ILE A 69 2.532 -0.486 -8.968 1.00 0.00 H new ATOM 0 HA ILE A 69 1.187 -3.144 -8.876 1.00 0.00 H new ATOM 0 HB ILE A 69 0.939 -0.771 -10.666 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.487 -2.176 -10.244 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.677 -2.114 -8.692 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.225 -2.180 -12.311 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.497 -2.606 -12.164 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.258 -3.632 -11.403 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.091 -0.110 -9.023 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.374 0.348 -8.933 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.196 0.285 -10.510 1.00 0.00 H new ATOM 1067 N ASP A 70 3.947 -2.195 -10.247 1.00 0.00 N ATOM 1068 CA ASP A 70 5.155 -2.661 -10.905 1.00 0.00 C ATOM 1069 C ASP A 70 6.013 -3.433 -9.900 1.00 0.00 C ATOM 1070 O ASP A 70 6.675 -4.405 -10.261 1.00 0.00 O ATOM 1071 CB ASP A 70 5.984 -1.487 -11.430 1.00 0.00 C ATOM 1072 CG ASP A 70 6.690 -1.739 -12.764 1.00 0.00 C ATOM 1073 OD1 ASP A 70 6.290 -2.618 -13.542 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.704 -0.977 -12.996 1.00 0.00 O ATOM 0 H ASP A 70 3.999 -1.243 -9.884 1.00 0.00 H new ATOM 0 HA ASP A 70 4.860 -3.297 -11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.331 -0.621 -11.540 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.734 -1.228 -10.682 1.00 0.00 H new ATOM 1080 N TYR A 71 5.972 -2.972 -8.659 1.00 0.00 N ATOM 1081 CA TYR A 71 6.737 -3.608 -7.599 1.00 0.00 C ATOM 1082 C TYR A 71 6.067 -4.905 -7.141 1.00 0.00 C ATOM 1083 O TYR A 71 6.747 -5.874 -6.807 1.00 0.00 O ATOM 1084 CB TYR A 71 6.750 -2.615 -6.435 1.00 0.00 C ATOM 1085 CG TYR A 71 8.104 -2.496 -5.733 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.518 -3.482 -4.861 1.00 0.00 C ATOM 1087 CD2 TYR A 71 8.911 -1.403 -5.972 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.793 -3.370 -4.200 1.00 0.00 C ATOM 1089 CE2 TYR A 71 10.186 -1.290 -5.312 1.00 0.00 C ATOM 1090 CZ TYR A 71 10.564 -2.280 -4.459 1.00 0.00 C ATOM 1091 OH TYR A 71 11.768 -2.173 -3.835 1.00 0.00 O ATOM 0 H TYR A 71 5.421 -2.166 -8.363 1.00 0.00 H new ATOM 0 HA TYR A 71 7.739 -3.858 -7.946 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.457 -1.633 -6.806 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.999 -2.917 -5.705 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.886 -4.338 -4.674 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.586 -0.632 -6.655 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.129 -4.134 -3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 71 10.827 -0.439 -5.490 1.00 0.00 H new ATOM 0 HH TYR A 71 11.686 -2.488 -2.910 1.00 0.00 H new ATOM 1101 N ILE A 72 4.743 -4.881 -7.141 1.00 0.00 N ATOM 1102 CA ILE A 72 3.973 -6.043 -6.730 1.00 0.00 C ATOM 1103 C ILE A 72 3.998 -7.087 -7.847 1.00 0.00 C ATOM 1104 O ILE A 72 4.004 -8.288 -7.580 1.00 0.00 O ATOM 1105 CB ILE A 72 2.562 -5.629 -6.306 1.00 0.00 C ATOM 1106 CG1 ILE A 72 2.610 -4.573 -5.200 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.732 -6.848 -5.900 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.049 -5.190 -3.871 1.00 0.00 C ATOM 0 H ILE A 72 4.183 -4.075 -7.419 1.00 0.00 H new ATOM 0 HA ILE A 72 4.422 -6.506 -5.851 1.00 0.00 H new ATOM 0 HB ILE A 72 2.067 -5.174 -7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.300 -3.778 -5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.627 -4.116 -5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.734 -6.526 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.656 -7.534 -6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.214 -7.354 -5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.075 -4.418 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.343 -5.968 -3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.042 -5.624 -3.982 1.00 0.00 H new ATOM 1120 N ASN A 73 4.012 -6.592 -9.076 1.00 0.00 N ATOM 1121 CA ASN A 73 4.037 -7.468 -10.235 1.00 0.00 C ATOM 1122 C ASN A 73 5.167 -8.486 -10.076 1.00 0.00 C ATOM 1123 O ASN A 73 5.097 -9.587 -10.620 1.00 0.00 O ATOM 1124 CB ASN A 73 4.291 -6.675 -11.519 1.00 0.00 C ATOM 1125 CG ASN A 73 3.284 -7.054 -12.607 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.584 -7.778 -13.542 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.076 -6.526 -12.433 1.00 0.00 N ATOM 0 H ASN A 73 4.007 -5.596 -9.294 1.00 0.00 H new ATOM 0 HA ASN A 73 3.069 -7.965 -10.303 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.222 -5.607 -11.311 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.304 -6.866 -11.874 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.333 -6.719 -13.105 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.892 -5.928 -11.628 1.00 0.00 H new ATOM 1134 N GLY A 74 6.183 -8.083 -9.328 1.00 0.00 N ATOM 1135 CA GLY A 74 7.327 -8.946 -9.091 1.00 0.00 C ATOM 1136 C GLY A 74 6.886 -10.299 -8.527 1.00 0.00 C ATOM 1137 O GLY A 74 7.639 -11.270 -8.572 1.00 0.00 O ATOM 0 H GLY A 74 6.238 -7.169 -8.878 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.873 -9.097 -10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.013 -8.464 -8.394 1.00 0.00 H new ATOM 1141 N HIS A 75 5.666 -10.319 -8.010 1.00 0.00 N ATOM 1142 CA HIS A 75 5.115 -11.536 -7.439 1.00 0.00 C ATOM 1143 C HIS A 75 5.130 -12.648 -8.490 1.00 0.00 C ATOM 1144 O HIS A 75 5.734 -13.699 -8.278 1.00 0.00 O ATOM 1145 CB HIS A 75 3.720 -11.283 -6.863 1.00 0.00 C ATOM 1146 CG HIS A 75 2.777 -12.454 -7.001 1.00 0.00 C ATOM 1147 ND1 HIS A 75 3.194 -13.769 -6.893 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.435 -12.494 -7.239 1.00 0.00 C ATOM 1149 CE1 HIS A 75 2.142 -14.557 -7.060 1.00 0.00 C ATOM 1150 NE2 HIS A 75 1.052 -13.764 -7.275 1.00 0.00 N ATOM 0 H HIS A 75 5.044 -9.512 -7.975 1.00 0.00 H new ATOM 0 HA HIS A 75 5.735 -11.864 -6.604 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.815 -11.028 -5.807 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.284 -10.418 -7.362 1.00 0.00 H new ATOM 0 HD1 HIS A 75 4.149 -14.079 -6.715 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.792 -11.637 -7.375 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.146 -15.637 -7.031 1.00 0.00 H new ATOM 1158 N GLN A 76 4.458 -12.379 -9.599 1.00 0.00 N ATOM 1159 CA GLN A 76 4.386 -13.344 -10.683 1.00 0.00 C ATOM 1160 C GLN A 76 5.746 -13.471 -11.371 1.00 0.00 C ATOM 1161 O GLN A 76 6.503 -12.505 -11.442 1.00 0.00 O ATOM 1162 CB GLN A 76 3.297 -12.961 -11.687 1.00 0.00 C ATOM 1163 CG GLN A 76 3.713 -11.738 -12.507 1.00 0.00 C ATOM 1164 CD GLN A 76 2.594 -10.695 -12.543 1.00 0.00 C ATOM 1165 OE1 GLN A 76 2.608 -9.851 -11.515 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 1.773 -10.659 -13.444 1.00 0.00 N flip ATOM 0 H GLN A 76 3.958 -11.507 -9.771 1.00 0.00 H new ATOM 0 HA GLN A 76 4.121 -14.314 -10.263 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.100 -13.801 -12.354 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.368 -12.750 -11.158 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.612 -11.297 -12.078 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.962 -12.045 -13.523 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.820 -11.338 -14.204 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.040 -9.950 -13.438 1.00 0.00 H new